N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide

C20H13Cl2F2N3O6S — CID 91364495

IUPACN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)N(O)c4c(Cl)cncc4Cl)c3c2c1
InChIInChI=1S/C20H13Cl2F2N3O6S/c1-34(30,31)26-9-2-4-14-11(6-9)16-10(3-5-15(18(16)32-14)33-20(23)24)19(28)27(29)17-12(21)7-25-8-13(17)22/h2-8,20,26,29H,1H3
InChIKeyXBJLZRXSLCZKOF-UHFFFAOYSA-N
MW532.31 g/mol
LogP5.30
Rot. Bonds6

About N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide

N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide (PubChem CID 91364495) has the molecular formula C20H13Cl2F2N3O6S and a molecular weight of 532.31 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide
PubChem CID91364495
Molecular FormulaC20H13Cl2F2N3O6S
Molecular Weight532.31 g/mol
Exact Mass530.99
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)N(O)c4c(Cl)cncc4Cl)c3c2c1
InChIInChI=1S/C20H13Cl2F2N3O6S/c1-34(30,31)26-9-2-4-14-11(6-9)16-10(3-5-15(18(16)32-14)33-20(23)24)19(28)27(29)17-12(21)7-25-8-13(17)22/h2-8,20,26,29H,1H3
InChIKeyXBJLZRXSLCZKOF-UHFFFAOYSA-N
XLogP5.30
TPSA121.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.31
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide
CID 123491984
sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
CID 11364118
N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide
CID 143227101
8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide
CID 140504441
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide
CID 11678716
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide
CID 90835343
N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide
CID 11202725
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-8-(methanesulfonamido)-4-methoxydibenzofuran-1-carboxamide
CID 58867862
3-chloropropyl N-[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-(difluoromethoxy)dibenzofuran-2-yl]methanimidate
CID 58867885
2-[4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-yl]-N-(4-hydroxycyclohexyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 46846791
1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone
CID 143212775
sodium 2-[[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]amino]-2-oxoacetate
CID 23686730

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide (CID 91364495) is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide is CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)N(O)c4c(Cl)cncc4Cl)c3c2c1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide?
The InChIKey is XBJLZRXSLCZKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F2N3O6S/c1-34(30,31)26-9-2-4-14-11(6-9)16-10(3-5-15(18(16)32-14)33-20(23)24)19(28)27(29)17-12(21)7-25-8-13(17)22/h2-8,20,26,29H,1H3.
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide has a molecular weight of 532.31 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide is sourced from PubChem (CID 91364495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).